3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide

C15H25N3O4S — CID 120650659

IUPAC3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H25N3O4S/c1-6-16-11(2)10-17-15(19)12-7-8-13(22-5)14(9-12)23(20,21)18(3)4/h7-9,11,16H,6,10H2,1-5H3,(H,17,19)/t11-/m1/s1
InChIKeySHIPUOGEERRMKZ-LLVKDONJSA-N
MW343.45 g/mol
LogP0.67
Rot. Bonds8

About 3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide

3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide (PubChem CID 120650659) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
PubChem CID120650659
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H25N3O4S/c1-6-16-11(2)10-17-15(19)12-7-8-13(22-5)14(9-12)23(20,21)18(3)4/h7-9,11,16H,6,10H2,1-5H3,(H,17,19)/t11-/m1/s1
InChIKeySHIPUOGEERRMKZ-LLVKDONJSA-N
XLogP0.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide
CID 120654617
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 60596778
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
CID 119364324
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide (CID 120650659) is 3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide is CCN[C@H](C)CNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide?
The InChIKey is SHIPUOGEERRMKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-6-16-11(2)10-17-15(19)12-7-8-13(22-5)14(9-12)23(20,21)18(3)4/h7-9,11,16H,6,10H2,1-5H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide?
3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide has a molecular weight of 343.45 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide is sourced from PubChem (CID 120650659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).